#
data_comp_list
loop_
_chem_comp.id
_chem_comp.three_letter_code
_chem_comp.name
_chem_comp.group
_chem_comp.number_atoms_all
_chem_comp.number_atoms_nh
_chem_comp.desc_level
CSD      CSD '3-SULFINOALANINE                    ' non-polymer        16   9 M
#
data_comp_CSD
#
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.partial_charge
 CSD           N      N    .         0.000
 CSD           CA     C    .         0.000
 CSD           CB     C    .         0.000
 CSD           SG     S    .         0.000
 CSD           C      C    .         0.000
 CSD           O      O    .         0.000
 CSD           OXT    O    .         0.000
 CSD           OD1    O    .         0.000
 CSD           OD2    O    .         0.000
 CSD           HN1    H    .         0.000
 CSD           HN2    H    .         0.000
 CSD           HA     H    .         0.000
 CSD           HB1    H    .         0.000
 CSD           HB2    H    .         0.000
 CSD           HD2    H    .         0.000
 CSD           HXT    H    .         0.000
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
 CSD        N      CA        single
 CSD        N      HN1       single
 CSD        N      HN2       single
 CSD        CA     CB        single
 CSD        CA     C         single
 CSD        CA     HA        single
 CSD        CB     SG        single
 CSD        CB     HB1       single
 CSD        CB     HB2       single
 CSD        SG     OD1       double
 CSD        SG     OD2       single
 CSD        C      O         double
 CSD        C      OXT       single
 CSD        OXT    HXT       single
 CSD        OD2    HD2       single